methyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propyl-phenyl]sulfamate

Systemtic Name: methyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propyl-phenyl]sulfamate Openeye Name: methyl N-[2-(3-benzylpiperazin-1-yl)-4-propyl-phenyl]sulfamate CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-4-propylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-benzylpiperazin-1-yl)-4-propylphenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-propyl-phenyl]sulfamic acid methyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3S/c1-3-7-17-10-11-20(23-28(25,26)27-2)21(15-17)24-13-12-22-19(16-24)14-18-8-5-4-6-9-18/h4-6,8-11,15,19,22-23H,3,7,12-14,16H2,1-2H3